[QE-users] Test Crashes: UPF not readable

[Paolo Giannozzi]

For the problem with UPF files, see here:

https://gitlab.com/QEF/q-e/-/wikis/Support/Problem-downloading-pseudopotential-files
It's not a problem of permissions so running the code with "sudo" has no
effect (and is not recommended, never).
The error on  shared objects is unrelated, is due to the way you define
environment variables, is not a QE error.

Paolo

On Mon, Mar 14, 2022 at 6:46 PM Guerlek, Burak <burak.guerlek at mpl.mpg.de>
wrote:

> Dear Users,
>
>
>
> I am new to the QE business and now trying to install it to a cluster. I
> read through the documentation and exploit several YouTube videos for the
> configuration. I installed all intel compiler+MKL+MPI (2022 Intel oneAPI).
> Configuration and make steps successfully done for both v6.7 and v7.0, but
> when I did tests (run-tests-pwe-serial), where only 3 test pass. The rest
> fails due to non-readable UPF (see attached crash file in the attachment).
> I made the pseudo folder rwx, but the error persists. I run it via sudo,
> then the error changes to “libmkl_scalapack_lp64.so.2: cannot open shared
> object file: No such file or directory” (see test.err.1304… in the
> attachment). I am also attaching the make.inc file I use to configure. I
> check the path information of mpiirun, mpiifort, which are ok. ldd pw.x
> also returns the address of “libmkl_scalapack_lp64” correctly.
>
>
>
> I searched a similar problem in the mail server, but could not find a
> relevant one. I would be happy, if some of you could guide me through the
> installation process, which certainly I am missing a point.
>
>
>
> Best Regards,
>
> Burak
>
>
>
>
>
> Burak Gurlek
>
> Doctoral student
>
> Nano-Optics, Sandoghdar Division
>
> Max Planck Institute for the Science of Light
>
> Staudtstr. 2
>
> D-91058 Erlangen, Germany
>
>
>
> Tel: +49 9131 7133343
>
> Website: www.mpl.mpg.de
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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